1,2,4,5-tetrakis(tert-butylsulfanyl)benzene

• ChemBase ID: 293961
• Molecular Formular: C22H38S4
• Molecular Mass: 430.79712
• Monoisotopic Mass: 430.18563522
• SMILES: CC(Sc1c(SC(C)(C)C)cc(SC(C)(C)C)c(SC(C)(C)C)c1)(C)C
• Canonical SMILES: CC(Sc1cc(SC(C)(C)C)c(cc1SC(C)(C)C)SC(C)(C)C)(C)C
• InChI: InChI=1S/C22H38S4/c1-19(2,3)23-15-13-17(25-21(7,8)9)18(26-22(10,11)12)14-16(15)24-20(4,5)6/h13-14H,1-12H3
• InChIKey: LOCUYYPERSWXJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrakis(tert-butylsulfanyl)benzene
• IUPAC Traditional name: 1,2,4,5-tetrakis(tert-butylsulfanyl)benzene
• Synonyms: 1,2,4,5-Tetrakis(tert-butylthio)benzene

Database IDs

• CAS Number: 447463-65-2
• PubChem SID: 180679492
• PubChem CID: 11812054

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.4566174
• LogD (pH = 7.4): 7.4566174
• Log P: 7.4566174
• Molar Refractivity: 132.9064 cm^3
• Polarizability: 52.04674 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%